(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate

C15H13F2NO2 — CID 105374630

IUPAC(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
SMILESCc1ccc(F)cc1COC(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H13F2NO2/c1-9-2-3-11(16)6-10(9)8-20-15(19)13-7-12(18)4-5-14(13)17/h2-7H,8,18H2,1H3
InChIKeyBNYUJZIGQREENO-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.21
Rot. Bonds3

About (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate

(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate (PubChem CID 105374630) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
PubChem CID105374630
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
SMILESCc1ccc(F)cc1COC(=O)c1cc(N)ccc1F
InChIInChI=1S/C15H13F2NO2/c1-9-2-3-11(16)6-10(9)8-20-15(19)13-7-12(18)4-5-14(13)17/h2-7H,8,18H2,1H3
InChIKeyBNYUJZIGQREENO-UHFFFAOYSA-N
XLogP3.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297925
(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 105374623
2-fluoroethyl 5-amino-2-fluorobenzoate
CID 80694649
(4-fluoro-2-methylphenyl)methyl 4-amino-2,5-difluorobenzoate
CID 114348605
(4,5-dimethoxy-2-methylphenyl)methyl 5-chloro-2-fluorobenzoate
CID 8620660
2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate
CID 61314304
(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate
CID 105374614
(4-cyano-2-fluorophenyl)methyl 5-amino-2-fluorobenzoate
CID 60730430
(3-chloro-4-fluorophenyl)methyl 5-amino-2-methylbenzoate
CID 103040742
(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 105374664
(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 105374637
2-(5-amino-2-fluorobenzoyl)oxyacetic acid
CID 61314863

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate?
The IUPAC name of (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate (CID 105374630) is (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate.
What is the SMILES notation for (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate?
The canonical SMILES for (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate is Cc1ccc(F)cc1COC(=O)c1cc(N)ccc1F.
What is the InChIKey of (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate?
The InChIKey is BNYUJZIGQREENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-9-2-3-11(16)6-10(9)8-20-15(19)13-7-12(18)4-5-14(13)17/h2-7H,8,18H2,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate?
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate has a molecular weight of 277.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate is sourced from PubChem (CID 105374630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).